LBF20207TX03

Upper classes: LB LBF

IDs and Links
LipidBank	XPR2121
LipidMaps	LMFA03030004
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207TX03

11-DEHYDROTHROMBOXANE B2
Structural Information
Systematic Name	7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid
Common Name	11-DEHYDROTHROMBOXANE B2 7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid
Symbol
Formula	C20H32O6
Exact Mass	368.219888756
Average Mass	368.46448
SMILES	C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=CCCCC(O)=O)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	METHANOL, ETHYL ACETATE Roberts_LJ et al.
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER BIS-TMS ETHER ; m/e 526(M+), 511, 455, 370, 295 Nelson_NA et al.
UV Spectra
IR Spectra	METHYL ESTER ; CHLOROFORM solution, n 1730 cm-1 Nelson_NA et al.
NMR Spectra	METHYL ESTER ; 1H-NMR(CDCl3) : d 5.86-5.78(m, 2H), 5.56-5.32(m, 2H), 5.13-4.72(m, 1H), 5.23-4.05(m, 2H), 3.67(S, 3H, OCH3) Nelson_NA et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20207TX03 See above. Nelson_NA et al. 1978 n.a. LBF20207TX03 See above. Roberts_LJ et al. 1978 n.a. LBF20207TX03 See above. Westlund_P et al. 1994 n.a. LBF20207TX03 See above. Westlund_P et al. 1986 n.a. LBF20207TX03 See above. Westlund_P et al. 1986